3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one

C17H25N3O — CID 61420962

IUPAC3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCC(CC)CC3)ccc21
InChIInChI=1S/C17H25N3O/c1-3-12-7-9-20(10-8-12)13-5-6-14-15(11-13)19-17(21)16(14)18-4-2/h5-6,11-12,16,18H,3-4,7-10H2,1-2H3,(H,19,21)
InChIKeyPZKAXXXTEWJLNR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.92
Rot. Bonds4

About 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one

3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 61420962) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID61420962
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCC(CC)CC3)ccc21
InChIInChI=1S/C17H25N3O/c1-3-12-7-9-20(10-8-12)13-5-6-14-15(11-13)19-17(21)16(14)18-4-2/h5-6,11-12,16,18H,3-4,7-10H2,1-2H3,(H,19,21)
InChIKeyPZKAXXXTEWJLNR-UHFFFAOYSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 61420962) is 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N3CCC(CC)CC3)ccc21.
What is the InChIKey of 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is PZKAXXXTEWJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-12-7-9-20(10-8-12)13-5-6-14-15(11-13)19-17(21)16(14)18-4-2/h5-6,11-12,16,18H,3-4,7-10H2,1-2H3,(H,19,21).
What are the key properties of 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61420962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).